Ethanol → tert-butyl N-[4-[3-(2-amino-4-methoxy-6-methylphenyl)phenyl]sulfonyl-5-methylsulfanylthiophene-2-carboximidoyl]carbamate

HRID 155152Notes

Reaction equation

HRID 155152 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8](=[NH:9])[c:10]1[s:11][c:12]([S:25][CH3:26])[c:13]([S:15](=[O:16])(=[O:17])[c:18]2[cH:19][c:20]([Br:24])[cH:21][cH:22][cH:23]2)[cH:14]1)=[O:27].[C:47](=[O:48])([O-:49])[O-:50].[CH3:28][O:29][c:30]1[cH:31][c:32]([CH3:46])[c:33]([B:37]2[O:38][C:39]([CH3:40])([CH3:41])[C:42]([CH3:43])([CH3:44])[O:45]2)[c:34]([NH2:36])[cH:35]1.[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[CH3:60][CH2:61][OH:62].[CH3:63][CH2:64][O:65][C:66]([CH3:67])=[O:68].[Na+:51].[Na+:52].[cH:69]1[cH:70][cH:71][c:72]([P:73]([Pd:74]([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[P:113]([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)([c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)([c:132]2[cH:133][cH:134][cH:135][cH:136][cH:137]2)[c:138]2[cH:139][cH:140][cH:141][cH:142][cH:143]2)[cH:144][cH:145]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8](=[NH:9])[c:10]1[s:11][c:12]([S:25][CH3:26])[c:13]([S:15](=[O:16])(=[O:17])[c:18]2[cH:19][c:20](-[c:33]3[c:32]([CH3:46])[cH:31][c:30]([O:29][CH3:28])[cH:35][c:34]3[NH2:36])[cH:21][cH:22][cH:23]2)[cH:14]1)=[O:27]

Participants

9

Reactant 8

HCID 702EthanolHCID 923Sodium ion2×HCID 1140TolueneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 218865585-Methoxy-3-methyl-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenylamineHCID 145857672tert-butyl N-[4-(3-bromophenyl)sulfonyl-5-methylsulfanylthiophene-2-carboximidoyl]carbamateHCID 178420554HCID 178420554, compound

Product 1

HCID 145857653tert-butyl N-[4-[3-(2-amino-4-methoxy-6-methylphenyl)phenyl]sulfonyl-5-methylsulfanylthiophene-2-carboximidoyl]carbamate

Sources & evidence

ORD record
ord-1cfe4a0c76d945e7bbf0be6c67b660d2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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